Complex | |
AACDB_ID: | 2127 |
PDBID: | 6CWD |
Chains: | B_D |
Organism: | Oryctolagus cuniculus, Hepatitis B virus subtype adyw |
Method: | XRD |
Resolution (Å): | 3.33 |
Reference: | 10.1016/j.str.2018.06.012 |
Antibody | |
Antibody: | e13 scFv |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Hepatitis B virus Capsid protein |
Antigen mutation: | Yes |
Durg Target: |
Antibody
Chain: B
Mutation: NULL
>6CWD_B|Chain A, C[auth B], E, G|Single chain variable fragment (scFv) e13|Oryctolagus cuniculus (9986) AAELVLTQTPSSVSAAVGGTVTINCQASQSISSRLGWYQQKPGQPPKLLIYGASTLTSVGPSRFKGSGSGTEFTLTISGVQRDDAATYYCLGSDTSTDTAFGGGTEVVVKGGSSRSSSSGGGGSGGGGQEQLVESGGRLVPPGGSLTLTCTVSGIDLSSNAISWVRQAPGKGLEYIGIIYGGSIPYYSRWAKGRFTISKTSTTVALKMSTLTASDTATYFCARGKSDGDGYAAYRLDPWGLGTLVTISSLVPRGSHHHHHH |
Antigen
Chain: D
Mutation: C48A/C107A
>6CWD_D|Chain B[auth C], D, F, H|Capsid protein|Hepatitis B virus subtype adyw (10419) MDIDPYKEFGATVELLSFLPSDFFPSVRDLLDTAAALYRDALESPEHASPHHTALRQAILCWGDLMTLATWVGTNLEDPASRDLVVSYVNTNVGLKFRQLLWFHISALTFGRETVLEYLVSFGVWIRTPPAYRPPNAPILSTLPETTVV |
Interaction
1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.
Interacting residues (ΔSASA based)
B: ARG34 ASP94 THR95 SER96 THR97 GLY154 ILE155 ASP156 LEU157 SER158 SER159 ILE179 TYR180 GLY181 GLY182 SER183 ILE184 PRO185 TYR186 ARG189 ILE197 SER198 LYS199 THR200 SER201 LYS207 LYS225 SER226 ASP227 GLY228 ASP229 GLY230 TYR231 D: PRO20 SER21 ASP22 PHE23 PHE24 PRO25 SER26 ARG28 ASP29 LEU30 ASP32 THR33 ASN92 ARG98 TRP102 ILE105 SER106 PHE110 TYR118 PHE122 TRP125 ASN136 ALA137 ILE139 LEU140 SER141 THR142 LEU143 GLU145 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.
Interacting residues (Atom distance based)